2-[3-[[[5-(phenylmethyl)pyridin-2-yl]methyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[[5-(phenylmethyl)pyridin-2-yl]methyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(5-benzyl-2-pyridyl)methyl-(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[[5-(phenylmethyl)-2-pyridinyl]methyl-(3-pyridinylsulfonyl)amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(5-benzylpyridin-2-yl)methyl-pyridin-3-ylsulfonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[(5-benzyl-2-pyridyl)methyl-(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN=C(C=C2)CN(CC3=CC=CC(=C3)CC(=O)O)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN=C(C=C2)CN(CC3=CC=CC(=C3)CC(=O)O)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C27H25N3O4S/c31-27(32)16-22-8-4-9-24(15-22)19-30(35(33,34)26-10-5-13-28-18-26)20-25-12-11-23(17-29-25)14-21-6-2-1-3-7-21/h1-13,15,17-18H,14,16,19-20H2,(H,31,32)